REMARK Name = BDB001926 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.756 1.247 -0.279 0.00 0.00 +0.019 A ATOM 2 C LIG 1 -0.011 0.830 0.857 0.00 0.00 +0.042 A ATOM 3 CA LIG 1 1.337 0.845 0.534 0.00 0.00 +0.102 A ATOM 4 N LIG 1 1.416 1.275 -0.773 0.00 0.00 -0.356 N ATOM 5 H LIG 1 2.278 1.421 -1.281 0.00 0.00 +0.165 HD ATOM 6 C LIG 1 0.161 1.493 -1.281 0.00 0.00 +0.093 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -2.172 3.750 -1.251 0.00 0.00 +0.047 C ATOM 8 C LIG 1 -2.846 2.471 -0.884 0.00 0.00 -0.006 A ATOM 9 C LIG 1 -2.200 1.333 -0.437 0.00 0.00 +0.080 A ATOM 10 N LIG 1 -2.849 0.200 -0.087 0.00 0.00 -0.214 NA ATOM 11 C LIG 1 -4.181 0.176 -0.215 0.00 0.00 +0.220 A ATOM 12 N LIG 1 -4.889 1.217 -0.668 0.00 0.00 -0.222 NA ATOM 13 C LIG 1 -4.212 2.335 -0.990 0.00 0.00 +0.120 A BRANCH 11 14 ATOM 14 N LIG 1 -4.782 -1.020 0.154 0.00 0.00 -0.282 N ATOM 15 H LIG 1 -4.073 -1.672 0.466 0.00 0.00 +0.155 HD BRANCH 14 16 ATOM 16 C LIG 1 -6.103 -1.492 0.199 0.00 0.00 +0.052 A ATOM 17 C LIG 1 -6.360 -2.811 0.636 0.00 0.00 +0.062 A ATOM 18 CL LIG 1 -5.058 -3.849 1.119 0.00 0.00 -0.082 Cl ATOM 19 C LIG 1 -7.659 -3.325 0.695 0.00 0.00 +0.022 A ATOM 20 C LIG 1 -8.737 -2.530 0.317 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -8.510 -1.228 -0.119 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -7.207 -0.718 -0.176 0.00 0.00 +0.025 A ENDBRANCH 14 16 ENDBRANCH 11 14 ENDBRANCH 1 9 BRANCH 3 23 ATOM 23 C LIG 1 2.454 0.513 1.391 0.00 0.00 +0.261 C ATOM 24 N LIG 1 3.612 0.185 0.722 0.00 0.00 -0.301 N ATOM 25 H LIG 1 3.496 -0.145 -0.226 0.00 0.00 +0.150 HD ATOM 26 O LIG 1 2.386 0.508 2.615 0.00 0.00 -0.269 OA BRANCH 24 27 ATOM 27 CA LIG 1 4.787 -0.345 1.418 0.00 0.00 +0.129 C BRANCH 27 28 ATOM 28 C LIG 1 5.807 -0.764 0.370 0.00 0.00 -0.025 A ATOM 29 C LIG 1 6.093 -2.123 0.174 0.00 0.00 +0.005 A ATOM 30 C LIG 1 7.011 -2.522 -0.799 0.00 0.00 +0.000 A ATOM 31 C LIG 1 7.650 -1.569 -1.590 0.00 0.00 +0.000 A ATOM 32 C LIG 1 7.372 -0.216 -1.410 0.00 0.00 +0.000 A ATOM 33 C LIG 1 6.454 0.186 -0.438 0.00 0.00 +0.005 A ENDBRANCH 27 28 BRANCH 27 34 ATOM 34 C LIG 1 5.402 0.648 2.438 0.00 0.00 +0.182 C BRANCH 34 35 ATOM 35 O LIG 1 4.770 0.574 3.716 0.00 0.00 -0.393 OA ATOM 36 H LIG 1 3.800 0.628 3.560 0.00 0.00 +0.209 HD ENDBRANCH 34 35 ENDBRANCH 27 34 ENDBRANCH 24 27 ENDBRANCH 3 23 TORSDOF 8